UCSF

ZINC03316198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 8.83 -11.77 1 4 0 48 333.387 6
Mid Mid (pH 6-8) 4.38 7.46 -38.47 2 4 1 53 334.395 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )